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Computational methods

A search engine for catalysts

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Trial and error has been the traditional method of finding the best catalyst for a reaction. A computational approach can reduce the lab work required.

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Figure 1: The catalyst selection procedure.

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  1. the Department of Chemical & Biological Engineering, University of Wisconsin-Madison, Madison, 53706, Wisconsin, USA

    Manos Mavrikakis

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  1. Manos Mavrikakis
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Mavrikakis, M. A search engine for catalysts. Nature Mater 5, 847–848 (2006). https://doi.org/10.1038/nmat1767

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